Chemical ID: 6426658

CSc1cc(oc1C(=O)c2ccco2)c3ccco3
Chemical ID:
6426658
Name [?]:
2-furyl-[5-(2-furyl)-3-methylsulfanyl-2-furyl]-methanone
SMILES [?]:
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
InChi [?]:
InChI=1/C14H10O4S/c1-19-12-8-11(9-4-2-6-16-9)18-14(12)13(15)10-5-3-7-17-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,12,16,11,18,13,4,15,10,5,3,8,7,9,19,14,6,2/rA:19nCSCCCOCCOCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d3s6;s7;d8;s8;d10;s11;d12;s10s13;s5;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10O4S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.69286
Area:455.88
Solvation:-3.70415
Coulombic:-33.0463
Bond Count [?]
All:21
Single:14
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.293
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.29
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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